5-[5-azanyl-2-methyl-3-phenylmethoxy-4-piperidin-1-yl-6-[2-(prop-2-enoylamino)ethanoyl]quinolin-7-yl]-N-methyl-pyridine-2-carboxamide

Systemtic Name: 5-[5-azanyl-2-methyl-3-phenylmethoxy-4-piperidin-1-yl-6-[2-(prop-2-enoylamino)ethanoyl]quinolin-7-yl]-N-methyl-pyridine-2-carboxamide Openeye Name: 5-[5-amino-3-benzyloxy-2-methyl-4-(1-piperidyl)-6-[2-(prop-2-enoylamino)acetyl]-7-quinolyl]-N-methyl-pyridine-2-carboxamide CAS Name: 5-[5-amino-2-methyl-6-[1-oxo-2-(1-oxoprop-2-enylamino)ethyl]-3-phenylmethoxy-4-(1-piperidinyl)-7-quinolinyl]-N-methyl-2-pyridinecarboxamide IUPAC Name: 5-[5-amino-2-methyl-3-phenylmethoxy-4-piperidin-1-yl-6-[2-(prop-2-enoylamino)acetyl]quinolin-7-yl]-N-methylpyridine-2-carboxamide Traditional Name: 5-[6-(2-acrylamidoacetyl)-5-amino-3-benzoxy-2-methyl-4-piperidino-7-quinolyl]-N-methyl-picolinamide Formula: C34H36N6O4 MolecularWeight: 592.68744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C(=C2)C3=CN=C(C=C3)C(=O)NC)C(=O)CNC(=O)C=C)N)C(=C1OCC4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CC1=NC2=C(C(=C(C(=C2)C3=CN=C(C=C3)C(=O)NC)C(=O)CNC(=O)C=C)N)C(=C1OCC4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C34H36N6O4/c1-4-28(42)38-19-27(41)29-24(23-13-14-25(37-18-23)34(43)36-3)17-26-30(31(29)35)32(40-15-9-6-10-16-40)33(21(2)39-26)44-20-22-11-7-5-8-12-22/h4-5,7-8,11-14,17-18H,1,6,9-10,15-16,19-20,35H2,2-3H3,(H,36,43)(H,38,42)